Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395035 | Computational and Theoretical Chemistry | 2011 | 7 Pages |
Abstract
⺠A new approach to handle structural distortions in coordinated molecules. ⺠Formulas for evaluation of the Jahn-Teller Effect, PJTE and RTE in systems with fractional charges. ⺠PJTE in coordinated diazene molecule. ⺠JTE as the origin of a butterfly geometry of coordinated white phosphorus. ⺠RTE in coordinated acetylene molecule.
Related Topics
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Physical and Theoretical Chemistry
Authors
Natalia N. Gorinchoy, Iolanta I. Balan, Isaac B. Bersuker,